methyl 4-[4-aminocarbonyl-5-methyl-1-(3-methylbutyl)-2-pentyl-pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-5-methyl-1-(3-methylbutyl)-2-pentyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-(4-carbamoyl-1-isopentyl-5-methyl-2-pentyl-pyrrol-3-yl)benzoate CAS Name: 4-[4-carbamoyl-5-methyl-1-(3-methylbutyl)-2-pentyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-5-methyl-1-(3-methylbutyl)-2-pentylpyrrol-3-yl]benzoate Traditional Name: 4-(2-amyl-4-carbamoyl-1-isoamyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C24H34N2O3/c1-6-7-8-9-20-22(18-10-12-19(13-11-18)24(28)29-5)21(23(25)27)17(4)26(20)15-14-16(2)3/h10-13,16H,6-9,14-15H2,1-5H3,(H2,25,27)